CID 4146662

Buflomedil impurity (o-desmethyl)

Structural Information

Molecular Formula
C16H23NO4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)O
InChI
InChI=1S/C16H23NO4/c1-20-12-10-14(19)16(15(11-12)21-2)13(18)6-5-9-17-7-3-4-8-17/h10-11,19H,3-9H2,1-2H3
InChIKey
CSRSHQICCMIBML-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4,6-dimethoxyphenyl)-4-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 170.1
[M+Na]+ 316.15194 179.8
[M+NH4]+ 311.19654 176.0
[M+K]+ 332.12588 176.4
[M-H]- 292.15544 171.1
[M+Na-2H]- 314.13739 173.5
[M]+ 293.16217 171.4
[M]- 293.16327 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe